3-(2-aminopropan-2-yl)-2-methoxy-5-(methoxymethyl)-6-[(2-methylpropan-2-yl)oxy]cyclohexan-1-ol

C16H33NO4 — CID 166986957

IUPAC3-(2-aminopropan-2-yl)-2-methoxy-5-(methoxymethyl)-6-[(2-methylpropan-2-yl)oxy]cyclohexan-1-ol
SMILESCOCC1CC(C(C)(C)N)C(OC)C(O)C1OC(C)(C)C
InChIInChI=1S/C16H33NO4/c1-15(2,3)21-13-10(9-19-6)8-11(16(4,5)17)14(20-7)12(13)18/h10-14,18H,8-9,17H2,1-7H3
InChIKeyASANYOUGMDBNTO-UHFFFAOYSA-N
MW303.44 g/mol
LogP1.57
Rot. Bonds5

About 3-(2-aminopropan-2-yl)-2-methoxy-5-(methoxymethyl)-6-[(2-methylpropan-2-yl)oxy]cyclohexan-1-ol

3-(2-aminopropan-2-yl)-2-methoxy-5-(methoxymethyl)-6-[(2-methylpropan-2-yl)oxy]cyclohexan-1-ol (PubChem CID 166986957) has the molecular formula C16H33NO4 and a molecular weight of 303.44 g/mol. Its IUPAC name is 3-(2-aminopropan-2-yl)-2-methoxy-5-(methoxymethyl)-6-[(2-methylpropan-2-yl)oxy]cyclohexan-1-ol.

Molecular Properties

Compound Name3-(2-aminopropan-2-yl)-2-methoxy-5-(methoxymethyl)-6-[(2-methylpropan-2-yl)oxy]cyclohexan-1-ol
PubChem CID166986957
Molecular FormulaC16H33NO4
Molecular Weight303.44 g/mol
Exact Mass303.24
IUPAC Name3-(2-aminopropan-2-yl)-2-methoxy-5-(methoxymethyl)-6-[(2-methylpropan-2-yl)oxy]cyclohexan-1-ol
SMILESCOCC1CC(C(C)(C)N)C(OC)C(O)C1OC(C)(C)C
InChIInChI=1S/C16H33NO4/c1-15(2,3)21-13-10(9-19-6)8-11(16(4,5)17)14(20-7)12(13)18/h10-14,18H,8-9,17H2,1-7H3
InChIKeyASANYOUGMDBNTO-UHFFFAOYSA-N
XLogP1.57
TPSA73.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.44
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-(2-aminopropan-2-yl)-2-methoxy-5-(methoxymethyl)-6-[(2-methylpropan-2-yl)oxy]cyclohexan-1-ol with MolForge

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Related Compounds

4-[1-Amino-3-hydroxy-3-(3,4,5-trimethoxycyclohexyl)propyl]-2,6-dimethoxycyclohexan-1-ol
CID 91113168
4-[3-Amino-1-hydroxy-3-(3,4,5-trimethoxycyclohexyl)propyl]-2,6-dimethoxycyclohexan-1-ol
CID 91435882
1-Amino-7-ethoxy-6,8-dimethoxy-1-(3,4,5-trimethoxycyclohexyl)decan-3-ol
CID 91598533

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminopropan-2-yl)-2-methoxy-5-(methoxymethyl)-6-[(2-methylpropan-2-yl)oxy]cyclohexan-1-ol?
The IUPAC name of 3-(2-aminopropan-2-yl)-2-methoxy-5-(methoxymethyl)-6-[(2-methylpropan-2-yl)oxy]cyclohexan-1-ol (CID 166986957) is 3-(2-aminopropan-2-yl)-2-methoxy-5-(methoxymethyl)-6-[(2-methylpropan-2-yl)oxy]cyclohexan-1-ol.
What is the SMILES notation for 3-(2-aminopropan-2-yl)-2-methoxy-5-(methoxymethyl)-6-[(2-methylpropan-2-yl)oxy]cyclohexan-1-ol?
The canonical SMILES for 3-(2-aminopropan-2-yl)-2-methoxy-5-(methoxymethyl)-6-[(2-methylpropan-2-yl)oxy]cyclohexan-1-ol is COCC1CC(C(C)(C)N)C(OC)C(O)C1OC(C)(C)C.
What is the InChIKey of 3-(2-aminopropan-2-yl)-2-methoxy-5-(methoxymethyl)-6-[(2-methylpropan-2-yl)oxy]cyclohexan-1-ol?
The InChIKey is ASANYOUGMDBNTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO4/c1-15(2,3)21-13-10(9-19-6)8-11(16(4,5)17)14(20-7)12(13)18/h10-14,18H,8-9,17H2,1-7H3.
What are the key properties of 3-(2-aminopropan-2-yl)-2-methoxy-5-(methoxymethyl)-6-[(2-methylpropan-2-yl)oxy]cyclohexan-1-ol?
3-(2-aminopropan-2-yl)-2-methoxy-5-(methoxymethyl)-6-[(2-methylpropan-2-yl)oxy]cyclohexan-1-ol has a molecular weight of 303.44 g/mol, XLogP of 1.57, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminopropan-2-yl)-2-methoxy-5-(methoxymethyl)-6-[(2-methylpropan-2-yl)oxy]cyclohexan-1-ol is sourced from PubChem (CID 166986957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).